7-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-nitro-quinolin-8-ol

Systemtic Name: 7-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-nitro-quinolin-8-ol Openeye Name: 5-nitro-7-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]quinolin-8-ol CAS Name: 7-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-5-nitro-8-quinolinol IUPAC Name: 7-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-nitroquinolin-8-ol Traditional Name: 5-nitro-7-[(4-tosylpiperazino)methyl]quinolin-8-ol Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-15-4-6-17(7-5-15)31(29,30)24-11-9-23(10-12-24)14-16-13-19(25(27)28)18-3-2-8-22-20(18)21(16)26/h2-8,13,26H,9-12,14H2,1H3